1. Primary Information
| English name: | Sodium 2,3-dihydroxypropyl (2R)-3-(hexadecanoyloxy)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl phosphate |
| CAS No.: | 322647-44-9 |
| Molecular formula: | C40H74NAO10P |
| Molecular weight: | 769.0 g/mol |
| SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+] |
| Structural class: | |
| Other identifiers: |
- |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | ≥98% | 4640 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | >99% | 1800 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | >99% | 6560 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;2,3-dihydroxypropyl [(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] phosphate
4.2 InChI
InChI=1S/C40H75O10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h11,13,17-18,37-38,41-42H,3-10,12,14-16,19-36H2,1-2H3,(H,45,46);/q;+1/p-1/b13-11-,18-17-;/t37?,38-;/m1./s1
4.3 InChIKey
JBOGSUDWCXWRFD-YBBFZHODSA-M
4.4 Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCC=CCCCCC.[Na+]
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[Na+]
